Structure

InChI Key MTKNGOHFNXIVOS-UHFFFAOYSA-N
Smile Cl.Clc1ccccc1CN1CCc2sccc2C1
InChI
InChI=1S/C14H14ClNS.ClH/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14;/h1-4,6,8H,5,7,9-10H2;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H15Cl2NS
Molecular Weight 300.25
AlogP 3.96
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 3.24
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Purinergic receptor P2Y12 antagonist PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Vascular disorders
21.05
Nervous system disorders
11.44
Blood and lymphatic system disorders
11.13
Gastrointestinal disorders
10.63
General disorders and administration site conditions
7.39
Skin and subcutaneous tissue disorders
7.39
Injury, poisoning and procedural complications
5.87
Cardiac disorders
4.15
Psychiatric disorders
3.24
Respiratory, thoracic and mediastinal disorders
3.04
Metabolism and nutrition disorders
2.23
Hepatobiliary disorders
2.02
Immune system disorders
2.02

Cross References

Resources Reference
ChEBI 9589
ChEMBL CHEMBL1717
EPA CompTox DTXSID80202141
FDA SRS A1L4914FMF
Guide to Pharmacology 7307
KEGG C07140
PDB TIC
PubChem 65335
SureChEMBL SCHEMBL33596
ZINC ZINC19594599